2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone

C24H38N4O2 — CID 68984676

IUPAC2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone
SMILESCOC(C(=O)N1CCC(c2ccccc2)(N2CCN(C)CC2)CC1)C1CCCCN1
InChIInChI=1S/C24H38N4O2/c1-26-16-18-28(19-17-26)24(20-8-4-3-5-9-20)11-14-27(15-12-24)23(29)22(30-2)21-10-6-7-13-25-21/h3-5,8-9,21-22,25H,6-7,10-19H2,1-2H3
InChIKeyAOZFGTSZNJJROB-UHFFFAOYSA-N
MW414.59 g/mol
LogP1.91
Rot. Bonds5

About 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone

2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone (PubChem CID 68984676) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone
PubChem CID68984676
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone
SMILESCOC(C(=O)N1CCC(c2ccccc2)(N2CCN(C)CC2)CC1)C1CCCCN1
InChIInChI=1S/C24H38N4O2/c1-26-16-18-28(19-17-26)24(20-8-4-3-5-9-20)11-14-27(15-12-24)23(29)22(30-2)21-10-6-7-13-25-21/h3-5,8-9,21-22,25H,6-7,10-19H2,1-2H3
InChIKeyAOZFGTSZNJJROB-UHFFFAOYSA-N
XLogP1.91
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone (CID 68984676) is 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone is COC(C(=O)N1CCC(c2ccccc2)(N2CCN(C)CC2)CC1)C1CCCCN1.
What is the InChIKey of 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone?
The InChIKey is AOZFGTSZNJJROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-26-16-18-28(19-17-26)24(20-8-4-3-5-9-20)11-14-27(15-12-24)23(29)22(30-2)21-10-6-7-13-25-21/h3-5,8-9,21-22,25H,6-7,10-19H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone?
2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone has a molecular weight of 414.59 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]-2-piperidin-2-ylethanone is sourced from PubChem (CID 68984676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).